CymitQuimica logo

CAS 3137-84-6

:

Ethyl 3-isothiocyanatobenzoate

Description:
Ethyl 3-isothiocyanatobenzoate, with the CAS number 3137-84-6, is an organic compound that belongs to the class of isothiocyanates. It is characterized by the presence of an ethyl ester group and an isothiocyanate functional group attached to a benzene ring. This compound typically appears as a colorless to pale yellow liquid with a distinctive odor. Ethyl 3-isothiocyanatobenzoate is known for its reactivity, particularly in nucleophilic substitution reactions, due to the electrophilic nature of the isothiocyanate group. It is soluble in organic solvents but has limited solubility in water. This compound is often used in organic synthesis and may have applications in the development of agrochemicals or pharmaceuticals. Additionally, isothiocyanates are recognized for their potential biological activities, including antimicrobial and anticancer properties. As with many isothiocyanates, handling should be done with care due to potential toxicity and irritant effects.
Formula:C10H9NO2S
InChI:InChI=1S/C10H9NO2S/c1-2-13-10(12)8-4-3-5-9(6-8)11-7-14/h3-6H,2H2,1H3
InChI key:InChIKey=MCHONYMFRSKTLR-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC(N=C=S)=CC=C1
Synonyms:
  • 3-Isothiocyanato-benzoic acid ethyl ester
  • Benzoic acid, 3-isothiocyanato-, ethyl ester
  • Benzoic acid, m-isothiocyanato-, ethyl ester
  • Ethyl 3-Isothiocyanatobenzoate
  • 3-Ethoxycarbonylphenyl isothiocyanate
Sort by
The purity filter is not visible because current products do not have associated purity data for filtering.
Found 2 products.